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SMILES: CC[C@@H](Nc1cccc(c1)C(C)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1

InChI Key: InChIKey=XAQIVCGULNSIQB-MZVUKIKXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 127508   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))		BDBM127508
PNG
(US8791100, 6)
Show SMILES CC[C@@H](Nc1cccc(c1)C(C)N1CC(C1)C(O)=O)c1ccc(Cl)c(C)c1 |r|
Show InChI InChI=1S/C22H27ClN2O2/c1-4-21(17-8-9-20(23)14(2)10-17)24-19-7-5-6-16(11-19)15(3)25-12-18(13-25)22(26)27/h5-11,15,18,21,24H,4,12-13H2,1-3H3,(H,26,27)/t15?,21-/m1/s1
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Similars
US Patent
n/an/a 0.5n/an/an/an/an/a37



Novartis AG

US Patent


Assay Description
The assay measures intracellular changes of Ca2+ mediated by the synthetic probing agonist 3-{[2-(2-Trifluoromethyl-biphenyl-4-yl)-benzo[b]thiophen-5...

US Patent US8791100 (2014)


BindingDB Entry DOI: 10.7270/Q2ZK5FCC
More data for this
Ligand-Target Pair